1-cyclooctylundecan-1-ol

C19H38O — CID 80603651

IUPAC1-cyclooctylundecan-1-ol
SMILESCCCCCCCCCCC(O)C1CCCCCCC1
InChIInChI=1S/C19H38O/c1-2-3-4-5-6-7-11-14-17-19(20)18-15-12-9-8-10-13-16-18/h18-20H,2-17H2,1H3
InChIKeyMBFFJTUCWYJBET-UHFFFAOYSA-N
MW282.51 g/mol
LogP6.24
Rot. Bonds10

About 1-cyclooctylundecan-1-ol

1-cyclooctylundecan-1-ol (PubChem CID 80603651) has the molecular formula C19H38O and a molecular weight of 282.51 g/mol. Its IUPAC name is 1-cyclooctylundecan-1-ol.

Molecular Properties

Compound Name1-cyclooctylundecan-1-ol
PubChem CID80603651
Molecular FormulaC19H38O
Molecular Weight282.51 g/mol
Exact Mass282.29
IUPAC Name1-cyclooctylundecan-1-ol
SMILESCCCCCCCCCCC(O)C1CCCCCCC1
InChIInChI=1S/C19H38O/c1-2-3-4-5-6-7-11-14-17-19(20)18-15-12-9-8-10-13-16-18/h18-20H,2-17H2,1H3
InChIKeyMBFFJTUCWYJBET-UHFFFAOYSA-N
XLogP6.24
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.51
LogP ≤ 56.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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CID 551238
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Frequently Asked Questions

What is the IUPAC name of 1-cyclooctylundecan-1-ol?
The IUPAC name of 1-cyclooctylundecan-1-ol (CID 80603651) is 1-cyclooctylundecan-1-ol.
What is the SMILES notation for 1-cyclooctylundecan-1-ol?
The canonical SMILES for 1-cyclooctylundecan-1-ol is CCCCCCCCCCC(O)C1CCCCCCC1.
What is the InChIKey of 1-cyclooctylundecan-1-ol?
The InChIKey is MBFFJTUCWYJBET-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38O/c1-2-3-4-5-6-7-11-14-17-19(20)18-15-12-9-8-10-13-16-18/h18-20H,2-17H2,1H3.
What are the key properties of 1-cyclooctylundecan-1-ol?
1-cyclooctylundecan-1-ol has a molecular weight of 282.51 g/mol, XLogP of 6.24, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclooctylundecan-1-ol is sourced from PubChem (CID 80603651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).